1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene

C16H16ClFN2O4S — CID 167902787

IUPAC1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene
SMILESCN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-20(11-10-12-2-4-13(17)5-3-12)16(21)19-14-6-8-15(9-7-14)24-25(18,22)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyMRKHWSHFIVNFCC-UHFFFAOYSA-N
MW386.83 g/mol
LogP3.64
Rot. Bonds6

About 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene

1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene (PubChem CID 167902787) has the molecular formula C16H16ClFN2O4S and a molecular weight of 386.83 g/mol. Its IUPAC name is 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene
PubChem CID167902787
Molecular FormulaC16H16ClFN2O4S
Molecular Weight386.83 g/mol
Exact Mass386.05
IUPAC Name1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene
SMILESCN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-20(11-10-12-2-4-13(17)5-3-12)16(21)19-14-6-8-15(9-7-14)24-25(18,22)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyMRKHWSHFIVNFCC-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-1-methyl-1-[2-(4-nitrophenyl)ethyl]urea
CID 3769604
1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
CID 154872347
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558
3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 3596842
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656
1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene
CID 154872315
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene (CID 167902787) is 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene is CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene?
The InChIKey is MRKHWSHFIVNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S/c1-20(11-10-12-2-4-13(17)5-3-12)16(21)19-14-6-8-15(9-7-14)24-25(18,22)23/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene?
1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene has a molecular weight of 386.83 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene is sourced from PubChem (CID 167902787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).